3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide

C11H14BrNO3 — CID 66168403

IUPAC3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-11(16,7-14)6-13-10(15)8-3-2-4-9(12)5-8/h2-5,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyMDHHWUIUAAFQBF-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.92
Rot. Bonds4

About 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide

3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide (PubChem CID 66168403) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
PubChem CID66168403
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-11(16,7-14)6-13-10(15)8-3-2-4-9(12)5-8/h2-5,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyMDHHWUIUAAFQBF-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
CID 107690124
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide (CID 66168403) is 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide is CC(O)(CO)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The InChIKey is MDHHWUIUAAFQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(16,7-14)6-13-10(15)8-3-2-4-9(12)5-8/h2-5,14,16H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide has a molecular weight of 288.14 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 66168403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).